General Information of the Compound
| Compound ID |
CP0543064
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-7-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N4O3
|
||||||||||||||||||
| Molecular Weight |
376.416
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2nccc3c(n[nH]c23)-c2ccccc2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4O3/c1-26-16-11-14(12-17(27-2)20(16)28-3)23-21-19-15(9-10-22-21)18(24-25-19)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,23)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PDMOOGGSAAZHAT-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00840, Adenosine receptor A1
Protein ID: PT01279, Adenosine receptor A3